Geometry & MOs

Info

ID:	207352
PubChem CID:	80386478
Reduced:	ON4C10H14 (1)
Stoich.:	AB4C10D14 (1)
Weight, g/mol:	275.101839
ΔH_f, kcal/mol:	37.78
Dipole, Da:	5.45
IP(EA), eV:	-9.51(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-N-[(3-nitrophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC1NC(=O)C2=NNC(=N2)C3CC3

DOS

IR

Vibrations